8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

C32H37N7O3 — CID 24937497

About 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide

8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24937497) has the molecular formula C32H37N7O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 24937497
• Molecular Formula: C32H37N7O3
• Molecular Weight: 567.69 g/mol
• Exact Mass: 567.30
• IUPAC Name: 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
• InChI: InChI=1S/C32H37N7O3/c1-37-14-16-38(17-15-37)13-11-22-5-8-25(9-6-22)35-32-34-20-27-29(41)28(31(42)33-12-18-40)21-39(30(27)36-32)26-10-7-23-3-2-4-24(23)19-26/h5-10,19-21,40H,2-4,11-18H2,1H3,(H,33,42)(H,34,35,36)
• InChIKey: NYRGPQZCWOMVAX-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 115.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.69
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 24937497) is 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1.

What is the InChIKey of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is NYRGPQZCWOMVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3/c1-37-14-16-38(17-15-37)13-11-22-5-8-25(9-6-22)35-32-34-20-27-29(41)28(31(42)33-12-18-40)21-39(30(27)36-32)26-10-7-23-3-2-4-24(23)19-26/h5-10,19-21,40H,2-4,11-18H2,1H3,(H,33,42)(H,34,35,36).

What are the key properties of 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide?

8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 567.69 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxyethyl)-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24937497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).